N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide

C26H26N4O — CID 46288010

IUPACN-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide
SMILESCCN(CCCNC(=O)c1c(-c2ccccc2)nnc2ccccc12)c1ccccc1
InChIInChI=1S/C26H26N4O/c1-2-30(21-14-7-4-8-15-21)19-11-18-27-26(31)24-22-16-9-10-17-23(22)28-29-25(24)20-12-5-3-6-13-20/h3-10,12-17H,2,11,18-19H2,1H3,(H,27,31)
InChIKeyQPTAWYOOJXAZQW-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.94
Rot. Bonds8

About N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide

N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide (PubChem CID 46288010) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide
PubChem CID46288010
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide
SMILESCCN(CCCNC(=O)c1c(-c2ccccc2)nnc2ccccc12)c1ccccc1
InChIInChI=1S/C26H26N4O/c1-2-30(21-14-7-4-8-15-21)19-11-18-27-26(31)24-22-16-9-10-17-23(22)28-29-25(24)20-12-5-3-6-13-20/h3-10,12-17H,2,11,18-19H2,1H3,(H,27,31)
InChIKeyQPTAWYOOJXAZQW-UHFFFAOYSA-N
XLogP4.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288008
N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
CID 26035305
3-(N-ethylanilino)propylurea
CID 112708177
N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide
CID 41277786
N-[3-(N-ethylanilino)propyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 5123544
N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide
CID 46288149
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide
CID 46287991
N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137279481
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 46287953

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide (CID 46288010) is N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide is CCN(CCCNC(=O)c1c(-c2ccccc2)nnc2ccccc12)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide?
The InChIKey is QPTAWYOOJXAZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-2-30(21-14-7-4-8-15-21)19-11-18-27-26(31)24-22-16-9-10-17-23(22)28-29-25(24)20-12-5-3-6-13-20/h3-10,12-17H,2,11,18-19H2,1H3,(H,27,31).
What are the key properties of N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide?
N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide is sourced from PubChem (CID 46288010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).